N-[3-[cyclopropyl-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]phenyl]-7H-purine-6-sulfonamide

Systemtic Name: N-[3-[cyclopropyl-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]phenyl]-7H-purine-6-sulfonamide Openeye Name: N-[3-[cyclopropyl-(2-hydroxy-4-oxo-chromen-3-yl)methyl]phenyl]-7H-purine-6-sulfonamide CAS Name: N-[3-[cyclopropyl-(2-hydroxy-4-oxo-1-benzopyran-3-yl)methyl]phenyl]-7H-purine-6-sulfonamide IUPAC Name: N-[3-[cyclopropyl-(2-hydroxy-4-oxochromen-3-yl)methyl]phenyl]-7H-purine-6-sulfonamide Traditional Name: N-[3-[cyclopropyl-(2-hydroxy-4-keto-chromen-3-yl)methyl]phenyl]-7H-purine-6-sulfonamide Formula: C24H19N5O5S MolecularWeight: 489.50316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(C2=CC(=CC=C2)NS(=O)(=O)C3=NC=NC4=C3NC=N4)C5=C(OC6=CC=CC=C6C5=O)O

Isomeric SMILES

C1CC1C(C2=CC(=CC=C2)NS(=O)(=O)C3=NC=NC4=C3NC=N4)C5=C(OC6=CC=CC=C6C5=O)O

InChI

InChI=1S/C24H19N5O5S/c30-21-16-6-1-2-7-17(16)34-24(31)19(21)18(13-8-9-13)14-4-3-5-15(10-14)29-35(32,33)23-20-22(26-11-25-20)27-12-28-23/h1-7,10-13,18,29,31H,8-9H2,(H,25,26,27,28)